1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydrocarbostyril picrate Formula: C21H23N5O9 MolecularWeight: 489.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=CC=CC=C21)CC[NH+]3CCOCC3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C2=CC=CC=C21)CC[NH+]3CCOCC3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O2.C6H3N3O7/c18-15-6-5-13-3-1-2-4-14(13)17(15)8-7-16-9-11-19-12-10-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,5-12H2;1-2,10H